Diethyl (4-Fluorobenzyl)phosphonate

Base Information

• Chemical Name: Diethyl (4-Fluorobenzyl)phosphonate
• CAS No.: 63909-58-0
• Molecular Formula: C11H16FO3P
• Molecular Weight: 246.218
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90453940
• Nikkaji Number: J517.204G
• Wikidata: Q82275238
• Mol file: 63909-58-0.mol

Synonyms:63909-58-0;Diethyl (4-Fluorobenzyl)phosphonate;Diethyl 4-fluorobenzylphosphonate;(4-Fluorobenzyl)phosphonic Acid Diethyl Ester;1-(diethoxyphosphorylmethyl)-4-fluorobenzene;[(4-fluorophenyl)methyl]phosphonic acid diethyl ester;Diethyl(4-Fluorobenzyl)phosphonate;Ethyl 4-fluorobenzylphosphonate;Diethyl4-fluorobenzylphosphonate;SCHEMBL1489170;DTXSID90453940;FIYRZOAUPPNGAO-UHFFFAOYSA-N;diethyl (4-fluoro-benzyl)phosphonate;MFCD06795966;AKOS015853567;Diethyl 4-fluorobenzylphosphonate, 97%;Diethyl (p-fluorophenyl)methanephosphonate;PS-11187;4-Fluorobenzylphosphonic acid diethyl ester;diethyl [(4-fluorophenyl)methyl]phosphonate;CS-0187360;D3324;FT-0764349;F20919;(4-FLUOROBENZYL)PHOSPHONICACIDDIETHYLESTER

Chemical Property of Diethyl (4-Fluorobenzyl)phosphonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: n20/D1.483
• Boiling Point: 150oC / 6mmHg
• Flash Point: 152.453oC
• PSA: 45.34000
• Density: 1.16
• LogP: 3.59180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 246.08210953
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

(4-Fluorobenzyl)phosphonicaciddiethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC=C(C=C1)F)OCC

Technology Process of Diethyl (4-Fluorobenzyl)phosphonate

There total 13 articles about Diethyl (4-Fluorobenzyl)phosphonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-Fluorobenzyl bromide (459-46-1) + triethyl phosphite (122-52-1) → diethyl (4-fluorobenzyl)phosphonate (63909-58-0)

Guidance literature:

at 160 ℃; for 6h; Inert atmosphere;

Reference yield: 98.0%

phosphonic acid diethyl ester (762-04-9) + 4-Fluorobenzyl bromide (459-46-1) → diethyl (4-fluorobenzyl)phosphonate (63909-58-0)

Guidance literature:

With water; palladium diacetate; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; for 4h; Inert atmosphere; Reflux;

DOI:10.1055/s-0028-1087522

Reference yield: 92.0%

4-fluorobenzaldehyde p-toluenesulfonylhydrazone (210422-66-5) + phosphonic acid diethyl ester (762-04-9) → diethyl (4-fluorobenzyl)phosphonate (63909-58-0)

Guidance literature:

With copper(l) iodide; caesium carbonate; In 1,2-dimethoxyethane; at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1002/adsc.201200295

upstream raw materials:

triethyl phosphite

1-chloromethyl-4-fluorobenzene

4-Fluorobenzyl bromide

phosphonic acid diethyl ester

Downstream raw materials:

[Fluoro-(4-fluoro-phenyl)-trimethylsilanyl-methyl]-phosphonic acid diethyl ester

[Chloro-(4-fluoro-phenyl)-trimethylsilanyl-methyl]-phosphonic acid diethyl ester

(diethoxy-phosphoryl)-(4-fluoro-phenyl)-acetic acid

1-benzyl-4-(4-fluorobenzylidene)piperidine

Refernces

• 1、 -. "Vinyl-Stilbene Compounds and Uses Thereof". Paragraph 0255; 0267-0273. . Retrieved 2021/06/22.
• 2、 Ash, Jeffrey,Cordero, Paula,Huang, Hai,Kang, Jun Yong. "Selective hydrolysis of phosphorus(v) compounds to form organophosphorus monoacids". . p. 6007 - 6014. Retrieved 2021/07/21.